On Wed, Sep 16, 2015, ayesha kanwal wrote:
> i have download and installed amber14 and amberTool14 as well. i want to
> ask you can i work on ambertool14 without using amber itself ?
Yes.
> because whenever i installed amber14, it gave an error:
>
> make[1]: Leaving directory `/home/ayesha/Desktop/amber14/AmberTools/src'
> ==============================================================
> /home/ayesha/Desktop/amber14/src/Makefile not found, or -noamber was set.
> This is expected if you do not have Amber14.
> ==============================================================
> although the "Makefile" is present in src folder i donot know why it
> show this error.
This is odd; what is the output of "ls -l /home/ayesha/Desktop/amber14/src/Makefile"?
> >>> import MMPBSA.py
>
> Traceback (most recent call last):
> File "<pyshell#0>", line 1, in <module>
> import MMPBSA.py
> ImportError: No module named MMPBSA.py
Did you source the $AMBERHOME/amber.sh file? Unless you put this command into
a .bashrc or similar file, you would have to do that in every session.
Check your PYTHONPATH variable (which gets set by $AMBERHOME/amber.sh).
>
> and also want to ask you if i
> only want to use MMPBSA.py is it possible ?? without installing sandar
> ??
Sander is a part of AmberTools14, so you should already have it.
...dac
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Received on Wed Sep 16 2015 - 06:00:08 PDT
